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Compile Data Set for Download or QSAR

Found 712 hits of ic50 for UniProtKB: P21731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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n/an/a>0.00100n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026750
PNG
(CHEMBL3354618)
Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1S/C30H30ClNO4S/c1-18-5-3-6-19(2)28(18)29-27(33)17-22(30(29)34)15-20-7-4-8-21-16-24(11-14-26(20)21)32-37(35,36)25-12-9-23(31)10-13-25/h3-10,12-13,22,24,32-33H,11,14-17H2,1-2H3
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n/an/a 0.0150n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026748
PNG
(CHEMBL3354616)
Show SMILES COc1ccc(cc1)C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1S/C29H28ClNO5S/c1-36-24-10-5-18(6-11-24)28-27(32)17-21(29(28)33)15-19-3-2-4-20-16-23(9-14-26(19)20)31-37(34,35)25-12-7-22(30)8-13-25/h2-8,10-13,21,23,31-32H,9,14-17H2,1H3
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n/an/a 0.0520n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50060458
PNG
((Z)-7-[(1R,2S,3S,4S)-3-(Naphthalene-2-sulfonylamin...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29NO4S/c26-23(27)10-4-2-1-3-9-22-19-11-12-20(15-19)24(22)25-30(28,29)21-14-13-17-7-5-6-8-18(17)16-21/h1,3,5-8,13-14,16,19-20,22,24-25H,2,4,9-12,15H2,(H,26,27)/b3-1-/t19-,20+,22+,24+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assay


J Med Chem 40: 3504-7 (1997)


Article DOI: 10.1021/jm970343g
BindingDB Entry DOI: 10.7270/Q2959GP9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188618
PNG
(CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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n/an/a 0.460n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 0.560n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188613
PNG
(CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)
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n/an/a 0.580n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188615
PNG
(CHEMBL274415 | N-n-pentyl-N'-[2-(4-methylphenoxy)-...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O6S/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)
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n/an/a 0.650n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188618
PNG
(CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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n/an/a 0.680n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188616
PNG
(CHEMBL379659 | N-n-pentyl-N'-[2-(3, 5-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cc(C)cc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188622
PNG
(CHEMBL209406 | N-n-butyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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n/an/a 0.700n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188620
PNG
(CHEMBL379736 | N-n-hexyl-N'-[2-(cyclohexylamino)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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n/an/a 0.710n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188612
PNG
(CHEMBL208818 | N-n-hexyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O6S/c1-3-4-5-6-13-21-20(24)22-30(27,28)19-14-16(23(25)26)9-12-18(19)29-17-10-7-15(2)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H2,21,22,24)
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n/an/a 0.720n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188622
PNG
(CHEMBL209406 | N-n-butyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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n/an/a 0.740n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188623
PNG
(CHEMBL380274 | N-tert-butyl-N'-[2-(4-methylphenylt...)
Show SMILES Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 0.770n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188619
PNG
(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
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n/an/a 0.780n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 0.780n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188610
PNG
(CHEMBL208543 | N-cyclohexyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
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n/an/a 0.790n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188607
PNG
(CHEMBL208115 | N-n-pentyl-N'-[2-(3-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-11-20-19(24)22-29(27,28)18-13-16(23(25)26)9-10-17(18)21-15-8-6-7-14(2)12-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H2,20,22,24)
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n/an/a 1.01n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188619
PNG
(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
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n/an/a 1.05n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188620
PNG
(CHEMBL379736 | N-n-hexyl-N'-[2-(cyclohexylamino)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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n/an/a 1.07n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188616
PNG
(CHEMBL379659 | N-n-pentyl-N'-[2-(3, 5-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cc(C)cc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)
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n/an/a 1.08n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50098926
PNG
(1-(2-Cyclohexylamino-5-nitro-benzenesulfonyl)-3-pe...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
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n/an/a 1.10n/an/an/an/an/an/a



Facultés Universitaires N.-D. de la Paix

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against thromboxane A2 receptor


Bioorg Med Chem Lett 11: 1019-22 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7V80
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188609
PNG
(CHEMBL209245 | N-benzyl-N'-[2-(4-methylphenylamino...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
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n/an/a 1.17n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188617
PNG
(CHEMBL209035 | N-tert-butyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.26n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188621
PNG
(CHEMBL377679 | N-n-pentyl-N'-[2-(2, 6-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1c(C)cccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-12-21-20(25)23-30(28,29)18-13-16(24(26)27)10-11-17(18)22-19-14(2)8-7-9-15(19)3/h7-11,13,22H,4-6,12H2,1-3H3,(H2,21,23,25)
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n/an/a 1.48n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188610
PNG
(CHEMBL208543 | N-cyclohexyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
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n/an/a 1.52n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188621
PNG
(CHEMBL377679 | N-n-pentyl-N'-[2-(2, 6-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1c(C)cccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-12-21-20(25)23-30(28,29)18-13-16(24(26)27)10-11-17(18)22-19-14(2)8-7-9-15(19)3/h7-11,13,22H,4-6,12H2,1-3H3,(H2,21,23,25)
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n/an/a 1.52n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188612
PNG
(CHEMBL208818 | N-n-hexyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O6S/c1-3-4-5-6-13-21-20(24)22-30(27,28)19-14-16(23(25)26)9-12-18(19)29-17-10-7-15(2)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H2,21,22,24)
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n/an/a 1.58n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188623
PNG
(CHEMBL380274 | N-tert-butyl-N'-[2-(4-methylphenylt...)
Show SMILES Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.74n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188617
PNG
(CHEMBL209035 | N-tert-butyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.77n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188613
PNG
(CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)
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n/an/a 1.82n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188609
PNG
(CHEMBL209245 | N-benzyl-N'-[2-(4-methylphenylamino...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
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n/an/a 1.90n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50228336
PNG
(CHEMBL71879)
Show SMILES [H][C@](CCCCCC(O)=O)(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccccc1 |c:10,t:16|
Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)/t18-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2214-21 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2P0W
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50423023
PNG
(CHEMBL427844)
Show SMILES CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
Show InChI InChI=1S/C27H21BrF2N2O4/c1-15-3-7-25(32(15)22-10-18(27(34)35)9-21(13-22)31-16(2)33)23-11-19(28)5-8-26(23)36-14-17-4-6-20(29)12-24(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TP receptor


Bioorg Med Chem Lett 17: 732-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.078
BindingDB Entry DOI: 10.7270/Q2MC91B9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188611
PNG
(CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...)
Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)
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n/an/a 2.5n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50058027
PNG
(CHEMBL29374)
Show SMILES OC(=O)CCc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23)
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n/an/a 2.60n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay


Bioorg Med Chem Lett 24: 4171-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.047
BindingDB Entry DOI: 10.7270/Q2QF8VJ5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188615
PNG
(CHEMBL274415 | N-n-pentyl-N'-[2-(4-methylphenoxy)-...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O6S/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)
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n/an/a 2.63n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 2.65n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188611
PNG
(CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...)
Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)
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n/an/a 2.68n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50075643
PNG
((E)-6-[3-(1-tert-Butylamino-2,2-dicyano-vinylamino...)
Show SMILES CC(C)(C)N=C(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)C(C#N)C#N |w:4.3,14.15|
Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)30-24(20(15-26)16-27)29-21-10-6-8-18(14-21)22(11-4-5-12-23(31)32)19-9-7-13-28-17-19/h6-11,13-14,17,20H,4-5,12H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 3.53n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026760
PNG
(CHEMBL3354614)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 |t:1|
Show InChI InChI=1S/C28H26ClNO4S/c29-22-9-12-24(13-10-22)35(33,34)30-23-11-14-25-19(7-4-8-20(25)16-23)15-21-17-26(31)27(28(21)32)18-5-2-1-3-6-18/h1-10,12-13,21,23,30-31H,11,14-17H2
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n/an/a 3.90n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50005097
PNG
(7-(4-Fluoro-phenyl)-7-(3-formyl-6-hydroxy-2,4,5-tr...)
Show SMILES Cc1c(C)c(C=O)c(C)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c1O
Show InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


J Med Chem 35: 2202-9 (1992)


BindingDB Entry DOI: 10.7270/Q2JQ0ZZZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188607
PNG
(CHEMBL208115 | N-n-pentyl-N'-[2-(3-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-11-20-19(24)22-29(27,28)18-13-16(23(25)26)9-10-17(18)21-15-8-6-7-14(2)12-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H2,20,22,24)
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n/an/a 4.43n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50026761
PNG
(CHEMBL3354615)
Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |t:1|
Show InChI InChI=1S/C28H25ClFNO4S/c29-21-6-11-24(12-7-21)36(34,35)31-23-10-13-25-18(2-1-3-19(25)15-23)14-20-16-26(32)27(28(20)33)17-4-8-22(30)9-5-17/h1-9,11-12,20,23,31-32H,10,13-16H2
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n/an/a 6.5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...


ACS Med Chem Lett 5: 1015-20 (2014)


Article DOI: 10.1021/ml5002085
BindingDB Entry DOI: 10.7270/Q27M09HF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50075641
PNG
(6-{3-[2-cyano-1-isobutylamino-(E)-1-iminomethylami...)
Show SMILES CC(C)CNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:27.29,14.15|
Show InChI InChI=1S/C23H27N5O2/c1-17(2)14-26-23(27-16-24)28-20-9-5-7-18(13-20)21(10-3-4-11-22(29)30)19-8-6-12-25-15-19/h5-10,12-13,15,17H,3-4,11,14H2,1-2H3,(H,29,30)(H2,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.


J Med Chem 42: 1235-49 (1999)


Article DOI: 10.1021/jm9707941
BindingDB Entry DOI: 10.7270/Q2H41QMS
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50279755
PNG
(7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccccc2)c(C)c1O |w:8.8|
Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-12,25-26H,5,8-9,13H2,1-3H3,(H,23,24)
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n/an/a 7.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro concentration of the compound that reduced specific binding of [3H]-U-440619 to guinea pig platelet receptor, TXA2 by 50%


J Med Chem 32: 2214-21 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2P0W
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
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